trimethyl-[(2S)-2-(6-nitrooxyhexanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride

Systemtic Name: trimethyl-[(2S)-2-(6-nitrooxyhexanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride Openeye Name: [(2S)-4-hydroxy-2-(6-nitrooxyhexanoyloxy)-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2S)-4-hydroxy-2-(6-nitrooxy-1-oxohexoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2S)-4-hydroxy-2-(6-nitrooxyhexanoyloxy)-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2S)-4-hydroxy-4-keto-2-(6-nitrooxyhexanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C13H25ClN2O7 MolecularWeight: 356.7998

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCCO[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCCO[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H24N2O7.ClH/c1-15(2,3)10-11(9-12(16)17)22-13(18)7-5-4-6-8-21-14(19)20;/h11H,4-10H2,1-3H3;1H/t11-;/m0./s1